methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate

C13H18N2O3 — CID 63107958

IUPACmethyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
SMILESCCNc1ccccc1C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C13H18N2O3/c1-4-14-11-8-6-5-7-10(11)12(16)15-9(2)13(17)18-3/h5-9,14H,4H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyKOIGVZDWSCUNFV-VIFPVBQESA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds5

About methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate

methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate (PubChem CID 63107958) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
PubChem CID63107958
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
SMILESCCNc1ccccc1C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C13H18N2O3/c1-4-14-11-8-6-5-7-10(11)12(16)15-9(2)13(17)18-3/h5-9,14H,4H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyKOIGVZDWSCUNFV-VIFPVBQESA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
N-but-3-yn-2-yl-2-(ethylamino)benzamide
CID 114418246
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
methyl (2S)-2-[[2-[[2-[[6-[[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoyl]amino]benzoyl]amino]propanoate
CID 102216653
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)benzamide
CID 62175664
2-(ethylamino)-N-(3-methoxy-2-methylpropyl)benzamide
CID 62175521

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate (CID 63107958) is methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate is CCNc1ccccc1C(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate?
The InChIKey is KOIGVZDWSCUNFV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-14-11-8-6-5-7-10(11)12(16)15-9(2)13(17)18-3/h5-9,14H,4H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate?
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate has a molecular weight of 250.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 63107958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).